RenPeng

TB2J-abacus question

1

I used abacus 3.8.3 to calculate the non-collinear system, and after using lcao-based group calculation, I encountered such an error when running TB2J. The system has 12 magnetic atoms and...

There is a BUG in calculating collinear magnetic system with DFT+U

4

### Describe the bug I used ABACUS v3.9.0 stable branch to calculate La4Ni3O10 system, encountered an error, can you see what is the reason? Related calculation files are available [10-mag-sdw.zip](https://github.com/user-attachments/files/19621877/10-mag-sdw.zip)...

A bug was encountered while calculating magnetic calculations

5

### Describe the bug I am calculating La4Ni3O10 system using the **abacus v3.9.0 stable** branch. this is a log.out file. The calculation file is in attachment. thank you. [8-mag-sdw.zip](https://github.com/user-attachments/files/19524030/8-mag-sdw.zip) ------------------------------------------------------------------------------------------------------------------...

I am calculating a non-collinear magnetic system, the magnetic moment of this system is non-collinear, vasp INCAR is set like this, LNONCOLLINEAR=T, LSORBIT=F, that is, SOC is not turned on,...

structure relax for matnetic system

3

### Describe the bug I use Abacus LST to run structure relax for La4Ni3O10 magnetic system, the error occured as followers. This is attachment. [3-sdw-U-1.5-opt.zip](https://github.com/user-attachments/files/20035603/3-sdw-U-1.5-opt.zip) Thank you.  ### Expected...

magnetic calculation errors

3

### Describe the bug I use abacus LST version to calculate magnetic systems, the wrong is as followes. attachment files： [1-sdw-U-1.5.zip](https://github.com/user-attachments/files/20033223/1-sdw-U-1.5.zip)  ### Expected behavior _No response_ ### To Reproduce...